2OTC

ornithine transcarbamoylase complexed with n- (phosphonacetyl)-l-ornithine

• Total interactions analyzed: 36
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 113
  • Norm. En. per Res.: -4.611
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-58.0755	-81.9719	-309.729	-449.7764	115	18	3	12897	14	47	57
A-C	-35.3908	-62.8113	-293.949	-392.1511	114	19	2	12601	11	47	55
A-D	-11.3438	-51.5826	44.6223	-18.3041	29	6	0	862	2	7	7
A-G	0.0	7.0145	-15.925	-8.9106	27	0	0	799	0	3	4
B-C	-64.0454	-131.9674	-331.283	-527.2958	115	26	3	13649	14	47	57
C-D	0.0	0.0	-0.294	-0.294	4	0	0	51	0	2	1
D-E	-72.0669	-130.3296	-318.645	-521.0416	113	15	2	12918	13	47	56
D-F	-45.3238	-120.5792	-306.911	-472.814	115	21	2	12900	13	46	57
E-F	-52.268	-125.4159	-314.185	-491.8689	114	23	3	13300	14	48	56
G-H	-59.2854	-84.5296	-332.301	-476.116	116	21	3	13505	14	48	57
G-I	-46.8422	-76.6485	-308.856	-432.3467	115	22	2	13100	14	47	56
H-I	-61.8849	-131.3509	-328.282	-521.5178	115	24	3	13515	13	47	57

Interface residues

• A-B: ALA276B, ALA316B, ALA40B, ALA48A, ALA65B, ALA66B, ALA71A, ALA71B, ALA93A, ARG106B, ARG319B, ARG57B, ARG59A, ARG59B, ARG72A, ARG72B, ARG94A, ARG98A, ASN318B, ASN46A, ASP101A, ASP231B, ASP279B, ASP280B, ASP302B, ASP314B, ASP54B, ASP68B, ASP91A, CYS273B, CYS60B, GLN281B, GLN315B, GLN69B, GLN82A, GLU111A, GLU306B, GLU317B, GLU63B, GLU87A, GLY237B, GLY285B, GLY44A, GLY70B, GLY77A, GLY77B, GLY80A, GLY84A, GLY97A, HIS147B, HIS278B, HIS321B, HIS85A, ILE112A, ILE311B, ILE323B, ILE47A, ILE50A, ILE83A, ILE89A, LEU128B, LEU274B, LEU284B, LEU49A, LEU49B, LEU76A, LEU96A, LYS30B, LYS324B, LYS33B, LYS34B, LYS45A, LYS53B, LYS86A, LYS90A, MET236B, MET320B, MET99A, PHE277B, PHE305B, PHE313B, PHE51B, PHE62B, PRO275B, PRO78B, SER235B, SER310B, SER55B, SER61B, SER79A, SER81A, SER88A, THR115A, THR143B, THR282B, THR283B, THR43B, THR56B, THR58B, THR74A, THR92A, TRP243B, TYR100A, TYR119A, TYR67A, TYR67B, TYR75A, TYR75B, VAL232B, VAL234B, VAL312B, VAL64B, VAL73A, VAL73B, VAL95A
• A-C: ALA276A, ALA316A, ALA40A, ALA48C, ALA65A, ALA66A, ALA71A, ALA71C, ALA93C, ARG106A, ARG319A, ARG57A, ARG59A, ARG59C, ARG72A, ARG72C, ARG94C, ARG98C, ASN318A, ASN46C, ASP101C, ASP279A, ASP280A, ASP302A, ASP314A, ASP54A, ASP68A, ASP91C, CYS273A, CYS60A, GLN281A, GLN315A, GLN69A, GLN82C, GLU111C, GLU306A, GLU317A, GLU63A, GLU87C, GLY237A, GLY285A, GLY44C, GLY70A, GLY77A, GLY77C, GLY80C, GLY84C, GLY97C, HIS147A, HIS278A, HIS321A, HIS85C, ILE112C, ILE311A, ILE323A, ILE47C, ILE50C, ILE83C, ILE89C, LEU128A, LEU274A, LEU284A, LEU49A, LEU49C, LEU76C, LEU96C, LYS30A, LYS324A, LYS33A, LYS34A, LYS45C, LYS53A, LYS86C, LYS90C, MET236A, MET320A, MET99C, PHE277A, PHE305A, PHE313A, PHE51A, PHE62A, PRO275A, PRO78A, SER235A, SER310A, SER55A, SER61A, SER79C, SER81C, SER88C, THR115C, THR143A, THR282A, THR283A, THR43A, THR56A, THR58A, THR74C, THR92C, TRP243A, TYR100C, TYR119C, TYR67A, TYR67C, TYR75A, TYR75C, VAL232A, VAL234A, VAL312A, VAL64A, VAL73A, VAL73C, VAL95C
• A-D: ALA195D, ALA196D, ALA203D, ALA308A, ARG202D, ASN211D, ASN265A, ASP314A, GLN189D, GLN206D, GLU146A, GLU194D, GLU200D, GLU267A, GLY150A, HIS147A, ILE212D, LEU148A, LEU214D, LYS151A, LYS269A, LYS30A, LYS34A, PRO149A, PRO266A, THR199D, THR213D, TRP192D, VAL198D
• A-G: ALA195A, ALA196A, ALA308G, ALA309G, ARG202A, ASN265G, GLN189A, GLN206A, GLN261G, GLU194A, GLU200A, GLU216A, GLU267G, GLU306G, GLY264G, HIS147G, ILE311G, LEU197A, LEU214A, PRO193A, PRO266G, SER307G, SER310G, THR199A, TRP192A, VAL198A, VAL268G
• B-C: ALA276C, ALA316C, ALA40C, ALA48B, ALA65C, ALA66C, ALA71B, ALA71C, ALA93B, ARG106C, ARG319C, ARG57C, ARG59B, ARG59C, ARG72B, ARG72C, ARG94B, ARG98B, ASN318C, ASN46B, ASP101B, ASP231C, ASP279C, ASP302C, ASP314C, ASP54C, ASP68C, ASP91B, CYS273C, CYS60C, GLN281C, GLN315C, GLN69C, GLN82B, GLU111B, GLU306C, GLU317C, GLU63C, GLU87B, GLY237C, GLY285C, GLY44B, GLY70C, GLY77B, GLY77C, GLY80B, GLY84B, GLY97B, HIS147C, HIS272C, HIS278C, HIS321C, HIS85B, ILE103B, ILE112B, ILE311C, ILE323C, ILE47B, ILE50B, ILE83B, ILE89B, LEU128C, LEU274C, LEU284C, LEU49B, LEU49C, LEU76B, LEU96B, LYS30C, LYS324C, LYS33C, LYS34C, LYS45B, LYS53C, LYS86B, LYS90B, MET236C, MET320C, MET99B, PHE277C, PHE305C, PHE313C, PHE51C, PHE62C, PRO275C, PRO78C, SER235C, SER310C, SER55C, SER61C, SER79B, SER81B, SER88B, THR115B, THR143C, THR282C, THR283C, THR56C, THR58C, THR74B, THR92B, TRP243C, TYR100B, TYR119B, TYR67B, TYR67C, TYR75B, TYR75C, VAL232C, VAL234C, VAL312C, VAL64C, VAL73B, VAL73C, VAL95B
• C-D: ALA219D, ARG121C, ASP217D, LYS220D
• D-E: ALA276E, ALA316E, ALA48D, ALA65E, ALA66E, ALA71D, ALA71E, ALA93D, ARG106E, ARG319E, ARG57E, ARG59D, ARG59E, ARG72D, ARG72E, ARG94D, ARG98D, ASN318E, ASN46D, ASP101D, ASP231E, ASP279E, ASP302E, ASP314E, ASP54E, ASP68E, ASP91D, CYS273E, CYS60E, GLN281E, GLN315E, GLN69E, GLN82D, GLU111D, GLU306E, GLU317E, GLU63E, GLU87D, GLY237E, GLY285E, GLY44D, GLY70E, GLY77D, GLY77E, GLY80D, GLY84D, GLY97D, HIS147E, HIS272E, HIS278E, HIS321E, HIS85D, ILE112D, ILE311E, ILE323E, ILE47D, ILE50D, ILE83D, ILE89D, LEU128E, LEU274E, LEU284E, LEU49D, LEU49E, LEU76D, LEU96D, LYS30E, LYS324E, LYS33E, LYS34E, LYS45D, LYS53E, LYS86D, LYS90D, MET236E, MET320E, MET99D, PHE277E, PHE305E, PHE313E, PHE51E, PHE62E, PRO275E, PRO78E, SER235E, SER310E, SER55E, SER61E, SER79D, SER81D, SER88D, THR115D, THR143E, THR282E, THR283E, THR56E, THR58E, THR74D, THR92D, TRP243E, TYR100D, TYR119D, TYR67D, TYR67E, TYR75D, TYR75E, VAL232E, VAL234E, VAL312E, VAL64E, VAL73D, VAL73E, VAL95D
• D-F: ALA276D, ALA316D, ALA40D, ALA48F, ALA65D, ALA66D, ALA71D, ALA71F, ALA93F, ARG106D, ARG319D, ARG57D, ARG59D, ARG59F, ARG72D, ARG72F, ARG94F, ARG98F, ASN318D, ASN46F, ASP101F, ASP231D, ASP279D, ASP280D, ASP302D, ASP314D, ASP54D, ASP68D, ASP91F, CYS273D, CYS60D, GLN281D, GLN315D, GLN69D, GLN82F, GLU111F, GLU306D, GLU317D, GLU63D, GLU87F, GLY237D, GLY285D, GLY44F, GLY70D, GLY77D, GLY77F, GLY80F, GLY84F, GLY97F, HIS147D, HIS278D, HIS321D, HIS85F, ILE112F, ILE311D, ILE323D, ILE47F, ILE50F, ILE83F, ILE89F, LEU128D, LEU274D, LEU284D, LEU49D, LEU49F, LEU76F, LEU96F, LYS30D, LYS324D, LYS33D, LYS34D, LYS45F, LYS53D, LYS86F, LYS90F, MET236D, MET320D, MET99F, PHE277D, PHE305D, PHE313D, PHE51D, PHE62D, PRO275D, PRO78D, SER235D, SER310D, SER55D, SER61D, SER79F, SER81F, SER88F, THR115F, THR143D, THR282D, THR283D, THR43D, THR56D, THR58D, THR74F, THR92F, TRP243D, TYR100F, TYR119F, TYR67D, TYR67F, TYR75D, TYR75F, VAL232D, VAL234D, VAL312D, VAL64D, VAL73D, VAL73F, VAL95F
• E-F: ALA276F, ALA316F, ALA40F, ALA48E, ALA65F, ALA66F, ALA71E, ALA71F, ALA93E, ARG106F, ARG319F, ARG57F, ARG59E, ARG59F, ARG72E, ARG72F, ARG94E, ARG98E, ASN318F, ASN46E, ASP101E, ASP231F, ASP279F, ASP302F, ASP314F, ASP54F, ASP68F, ASP91E, CYS273F, CYS60F, GLN281F, GLN315F, GLN69F, GLN82E, GLU111E, GLU306F, GLU317F, GLU63F, GLU87E, GLY237F, GLY285F, GLY44E, GLY70F, GLY77E, GLY77F, GLY80E, GLY84E, GLY97E, HIS147F, HIS278F, HIS321F, HIS85E, ILE103E, ILE112E, ILE311F, ILE323F, ILE47E, ILE50E, ILE83E, ILE89E, LEU128F, LEU274F, LEU284F, LEU49E, LEU49F, LEU76E, LEU96E, LYS30F, LYS324F, LYS33F, LYS34F, LYS45E, LYS53F, LYS86E, LYS90E, MET236F, MET320F, MET99E, PHE277F, PHE305F, PHE313F, PHE51F, PHE62F, PRO275F, PRO78F, SER235F, SER310F, SER55F, SER61F, SER79E, SER81E, SER88E, THR115E, THR143F, THR282F, THR283F, THR56F, THR58F, THR74E, THR92E, TRP243F, TYR100E, TYR119E, TYR67E, TYR67F, TYR75E, TYR75F, VAL232F, VAL234F, VAL312F, VAL64F, VAL73E, VAL73F, VAL95E
• G-H: ALA276H, ALA316H, ALA40H, ALA48G, ALA65H, ALA66H, ALA71G, ALA71H, ALA93G, ARG106H, ARG319H, ARG57H, ARG59G, ARG59H, ARG72G, ARG72H, ARG94G, ARG98G, ASN318H, ASN46G, ASP101G, ASP231H, ASP279H, ASP280H, ASP302H, ASP314H, ASP54H, ASP68H, ASP91G, CYS273H, CYS60H, GLN281H, GLN315H, GLN69H, GLN82G, GLU111G, GLU306H, GLU317H, GLU63H, GLU87G, GLY237H, GLY285H, GLY44G, GLY70H, GLY77G, GLY77H, GLY80G, GLY84G, GLY97G, HIS147H, HIS272H, HIS278H, HIS321H, HIS85G, ILE112G, ILE311H, ILE323H, ILE47G, ILE50G, ILE83G, ILE89G, LEU128H, LEU274H, LEU284H, LEU49G, LEU49H, LEU76G, LEU96G, LYS30H, LYS324H, LYS33H, LYS34H, LYS45G, LYS53H, LYS86G, LYS90G, MET236H, MET320H, MET99G, PHE277H, PHE305H, PHE313H, PHE51H, PHE62H, PRO275H, PRO78H, SER235H, SER310H, SER55H, SER61H, SER79G, SER81G, SER88G, THR115G, THR143H, THR282H, THR283H, THR43H, THR56H, THR58H, THR74G, THR92G, TRP243H, TYR100G, TYR119G, TYR67G, TYR67H, TYR75G, TYR75H, VAL232H, VAL234H, VAL312H, VAL64H, VAL73G, VAL73H, VAL95G
• G-I: ALA276G, ALA316G, ALA40G, ALA48I, ALA65G, ALA66G, ALA71G, ALA71I, ALA93I, ARG106G, ARG319G, ARG57G, ARG59G, ARG59I, ARG72G, ARG72I, ARG94I, ARG98I, ASN318G, ASN46I, ASP101I, ASP231G, ASP279G, ASP280G, ASP302G, ASP314G, ASP54G, ASP68G, ASP91I, CYS273G, CYS60G, GLN281G, GLN315G, GLN69G, GLN82I, GLU111I, GLU306G, GLU317G, GLU63G, GLU87I, GLY237G, GLY285G, GLY44I, GLY70G, GLY77G, GLY77I, GLY80I, GLY84I, GLY97I, HIS147G, HIS278G, HIS321G, HIS85I, ILE112I, ILE311G, ILE323G, ILE47I, ILE50I, ILE83I, ILE89I, LEU128G, LEU274G, LEU284G, LEU49G, LEU49I, LEU76I, LEU96I, LYS30G, LYS324G, LYS33G, LYS34G, LYS45I, LYS53G, LYS86I, LYS90I, MET236G, MET320G, MET99I, PHE277G, PHE305G, PHE313G, PHE51G, PHE62G, PRO275G, PRO78G, SER235G, SER310G, SER55G, SER61G, SER79I, SER81I, SER88I, THR115I, THR143G, THR282G, THR283G, THR43G, THR56G, THR58G, THR74I, THR92I, TRP243G, TYR100I, TYR119I, TYR67G, TYR67I, TYR75G, TYR75I, VAL232G, VAL234G, VAL312G, VAL64G, VAL73G, VAL73I, VAL95I
• H-I: ALA276I, ALA316I, ALA40I, ALA48H, ALA65I, ALA66I, ALA71H, ALA71I, ALA93H, ARG106I, ARG319I, ARG57I, ARG59H, ARG59I, ARG72H, ARG72I, ARG94H, ARG98H, ASN318I, ASN46H, ASP101H, ASP231I, ASP279I, ASP302I, ASP314I, ASP54I, ASP68I, ASP91H, CYS273I, CYS60I, GLN281I, GLN315I, GLN69I, GLN82H, GLU111H, GLU306I, GLU317I, GLU63I, GLU87H, GLY237I, GLY285I, GLY44H, GLY70I, GLY77H, GLY77I, GLY80H, GLY84H, GLY97H, HIS147I, HIS272I, HIS278I, HIS321I, HIS85H, ILE103H, ILE112H, ILE311I, ILE323I, ILE47H, ILE50H, ILE83H, ILE89H, LEU128I, LEU274I, LEU284I, LEU49H, LEU49I, LEU76H, LEU96H, LYS30I, LYS324I, LYS33I, LYS34I, LYS45H, LYS53I, LYS86H, LYS90H, MET236I, MET320I, MET99H, PHE277I, PHE305I, PHE313I, PHE51I, PHE62I, PRO275I, PRO78I, SER235I, SER310I, SER55I, SER61I, SER79H, SER81H, SER88H, THR115H, THR143I, THR282I, THR283I, THR56I, THR58I, THR74H, THR92H, TRP243I, TYR100H, TYR119H, TYR67H, TYR67I, TYR75H, TYR75I, VAL232I, VAL234I, VAL312I, VAL64I, VAL73H, VAL73I, VAL95H